2-bromo-6-methoxy-N-propylbenzamide

C11H14BrNO2 — CID 171934574

IUPAC2-bromo-6-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1c(Br)cccc1OC
InChIInChI=1S/C11H14BrNO2/c1-3-7-13-11(14)10-8(12)5-4-6-9(10)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyISEGYTWUHQOIHG-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.60
Rot. Bonds4

About 2-bromo-6-methoxy-N-propylbenzamide

2-bromo-6-methoxy-N-propylbenzamide (PubChem CID 171934574) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-6-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-6-methoxy-N-propylbenzamide
PubChem CID171934574
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-6-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1c(Br)cccc1OC
InChIInChI=1S/C11H14BrNO2/c1-3-7-13-11(14)10-8(12)5-4-6-9(10)15-2/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyISEGYTWUHQOIHG-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2-chloro-6-methoxy-N-(2-sulfamoylethyl)benzamide
CID 138016679
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
2-bromo-3-methoxy-N-pentylbenzamide
CID 172648074
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-N-propylbenzamide?
The IUPAC name of 2-bromo-6-methoxy-N-propylbenzamide (CID 171934574) is 2-bromo-6-methoxy-N-propylbenzamide.
What is the SMILES notation for 2-bromo-6-methoxy-N-propylbenzamide?
The canonical SMILES for 2-bromo-6-methoxy-N-propylbenzamide is CCCNC(=O)c1c(Br)cccc1OC.
What is the InChIKey of 2-bromo-6-methoxy-N-propylbenzamide?
The InChIKey is ISEGYTWUHQOIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-7-13-11(14)10-8(12)5-4-6-9(10)15-2/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-6-methoxy-N-propylbenzamide?
2-bromo-6-methoxy-N-propylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-N-propylbenzamide is sourced from PubChem (CID 171934574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).